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3-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-2H-chromen-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-[(4-benzylpiperidin-1-yl)carbonyl]-6-chloro-2H-chromen-2-one
SpectraBase Compound ID JstPVGIMdH0
InChI InChI=1S/C22H20ClNO3/c23-18-6-7-20-17(13-18)14-19(22(26)27-20)21(25)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2
InChIKey NLCULEHLMWSRCG-UHFFFAOYSA-N
Mol Weight 381.86 g/mol
Molecular Formula C22H20ClNO3
Exact Mass 381.113171 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gGazCcN1AL
Name 3-[(4-Benzylpiperidin-1-yl)carbonyl]-6-chloro-2H-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.113171205 u
Formula C22H20ClNO3
InChI InChI=1S/C22H20ClNO3/c23-18-6-7-20-17(13-18)14-19(22(26)27-20)21(25)24-10-8-16(9-11-24)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2
InChIKey NLCULEHLMWSRCG-UHFFFAOYSA-N
Molecular Weight 381.859 g/mol
SMILES C=1(C(OC=2C=CC(=CC2C1)Cl)=O)C(N1CCC(CC=2C=CC=CC2)CC1)=O